2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide

C12H9ClFNO4S — CID 106686015

IUPAC2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9ClFNO4S/c1-20(17,18)7-2-3-9(14)10(6-7)15-12(16)8-4-5-19-11(8)13/h2-6H,1H3,(H,15,16)
InChIKeyJNRHGVHUVCFVLW-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide

2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide (PubChem CID 106686015) has the molecular formula C12H9ClFNO4S and a molecular weight of 317.73 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide
PubChem CID106686015
Molecular FormulaC12H9ClFNO4S
Molecular Weight317.73 g/mol
Exact Mass316.99
IUPAC Name2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9ClFNO4S/c1-20(17,18)7-2-3-9(14)10(6-7)15-12(16)8-4-5-19-11(8)13/h2-6H,1H3,(H,15,16)
InChIKeyJNRHGVHUVCFVLW-UHFFFAOYSA-N
XLogP2.73
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide (CID 106686015) is 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is JNRHGVHUVCFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4S/c1-20(17,18)7-2-3-9(14)10(6-7)15-12(16)8-4-5-19-11(8)13/h2-6H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide?
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106686015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).